5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine

C12H15BrN4 — CID 112697448

IUPAC5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
SMILESCc1cc(Br)cnc1NCCCn1cccn1
InChIInChI=1S/C12H15BrN4/c1-10-8-11(13)9-15-12(10)14-4-2-6-17-7-3-5-16-17/h3,5,7-9H,2,4,6H2,1H3,(H,14,15)
InChIKeyAZBRZKLGGDEZCX-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.85
Rot. Bonds5

About 5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine

5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine (PubChem CID 112697448) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
PubChem CID112697448
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
SMILESCc1cc(Br)cnc1NCCCn1cccn1
InChIInChI=1S/C12H15BrN4/c1-10-8-11(13)9-15-12(10)14-4-2-6-17-7-3-5-16-17/h3,5,7-9H,2,4,6H2,1H3,(H,14,15)
InChIKeyAZBRZKLGGDEZCX-UHFFFAOYSA-N
XLogP2.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
CID 113420539
5-bromo-3-fluoro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 104918929
5-bromo-3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79718486
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
N-(5-bromo-3-methyl-2-pyridinyl)-N',N'-dimethylbutane-1,4-diamine
CID 79717787
5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 79718768
3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 113420419
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
CID 105369599
5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine
CID 79717901

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine (CID 112697448) is 5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine is Cc1cc(Br)cnc1NCCCn1cccn1.
What is the InChIKey of 5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
The InChIKey is AZBRZKLGGDEZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-10-8-11(13)9-15-12(10)14-4-2-6-17-7-3-5-16-17/h3,5,7-9H,2,4,6H2,1H3,(H,14,15).
What are the key properties of 5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 112697448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).